4-(1-ethylcyclopropyl)-N,3-dimethyl-N-propylbenzamide

C17H25NO — CID 139420413

IUPAC4-(1-ethylcyclopropyl)-N,3-dimethyl-N-propylbenzamide
SMILESCCCN(C)C(=O)c1ccc(C2(CC)CC2)c(C)c1
InChIInChI=1S/C17H25NO/c1-5-11-18(4)16(19)14-7-8-15(13(3)12-14)17(6-2)9-10-17/h7-8,12H,5-6,9-11H2,1-4H3
InChIKeyUIAXBQZQKMOWEQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.92
Rot. Bonds5

About 4-(1-ethylcyclopropyl)-N,3-dimethyl-N-propylbenzamide

4-(1-ethylcyclopropyl)-N,3-dimethyl-N-propylbenzamide (PubChem CID 139420413) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-(1-ethylcyclopropyl)-N,3-dimethyl-N-propylbenzamide.

Molecular Properties

Compound Name4-(1-ethylcyclopropyl)-N,3-dimethyl-N-propylbenzamide
PubChem CID139420413
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-(1-ethylcyclopropyl)-N,3-dimethyl-N-propylbenzamide
SMILESCCCN(C)C(=O)c1ccc(C2(CC)CC2)c(C)c1
InChIInChI=1S/C17H25NO/c1-5-11-18(4)16(19)14-7-8-15(13(3)12-14)17(6-2)9-10-17/h7-8,12H,5-6,9-11H2,1-4H3
InChIKeyUIAXBQZQKMOWEQ-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-ethylcyclopropyl)-N-(2-hydroxyethyl)-N,3-dimethylbenzamide
CID 139420078
N-(2-amino-2-oxoethyl)-4-(1-ethylcyclopropyl)-N,3-dimethylbenzamide
CID 139420132
3-chloro-4-iodo-N-methyl-N-propylbenzamide
CID 103736028
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538
4-amino-N,3-dimethyl-N-pentylbenzamide
CID 43294398
4-fluoro-N-methyl-N-propylbenzamide
CID 60928889
3-amino-N-methyl-N-propylbenzamide
CID 43270761
6-(ethylamino)-N-methyl-N-propylpyridine-3-carboxamide
CID 62167941
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303
3-methyl-4-[methyl(propyl)amino]benzoic acid
CID 62120072
4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide
CID 107672200

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylcyclopropyl)-N,3-dimethyl-N-propylbenzamide?
The IUPAC name of 4-(1-ethylcyclopropyl)-N,3-dimethyl-N-propylbenzamide (CID 139420413) is 4-(1-ethylcyclopropyl)-N,3-dimethyl-N-propylbenzamide.
What is the SMILES notation for 4-(1-ethylcyclopropyl)-N,3-dimethyl-N-propylbenzamide?
The canonical SMILES for 4-(1-ethylcyclopropyl)-N,3-dimethyl-N-propylbenzamide is CCCN(C)C(=O)c1ccc(C2(CC)CC2)c(C)c1.
What is the InChIKey of 4-(1-ethylcyclopropyl)-N,3-dimethyl-N-propylbenzamide?
The InChIKey is UIAXBQZQKMOWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-5-11-18(4)16(19)14-7-8-15(13(3)12-14)17(6-2)9-10-17/h7-8,12H,5-6,9-11H2,1-4H3.
What are the key properties of 4-(1-ethylcyclopropyl)-N,3-dimethyl-N-propylbenzamide?
4-(1-ethylcyclopropyl)-N,3-dimethyl-N-propylbenzamide has a molecular weight of 259.39 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylcyclopropyl)-N,3-dimethyl-N-propylbenzamide is sourced from PubChem (CID 139420413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).